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4-(2-Benzyloxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2-Benzyloxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID FhAds5jwJRy
InChI InChI=1S/C19H23NO4/c1-4-23-19(22)18-13(2)16(14(3)20-18)10-11-17(21)24-12-15-8-6-5-7-9-15/h5-9,20H,4,10-12H2,1-3H3
InChIKey OKQOZEMETOKFIP-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiML7yazyad
Name 4-(2-Benzyloxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.162708221 u
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-4-23-19(22)18-13(2)16(14(3)20-18)10-11-17(21)24-12-15-8-6-5-7-9-15/h5-9,20H,4,10-12H2,1-3H3
InChIKey OKQOZEMETOKFIP-UHFFFAOYSA-N
Molecular Weight 329.396 g/mol
SMILES C=1(NC(=C(C1C)CCC(=O)OCC=1C=CC=CC1)C)C(=O)OCC